CAS RN: 955371-66-1
VK-II-36
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 10mg / 25mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS955371-66-1
- Purity/Analytical Methods: >99.0%
955371-66-1 / 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one
Basic Information
CAS
955371-66-1
Multi CAS
No
Molecular Formula
C26H26N2O5
Molecular Weight
446.500000
Exact Mass
446.184172
InChI
InChI=1S/C26H26N2O5/c1-30-22-10-4-5-11-23(22)31-14-13-28-15-18(32-17-25(28)29)16-33-24-12-6-9-21-26(24)19-7-2-3-8-20(19)27-21/h2-12,18,27H,13-17H2,1H3
InChIKey
OPUVSUMPCOUABG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
126.11
TPSA
73.02
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
4.5
Consensus LogP
4.02
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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